Detailed information for compound 1637116

Basic information

Technical information
  • TDR Targets ID: 1637116
  • Name: 1-[4-(4,4-dimethyl-3-oxo-5-piperidin-1-ylpent -1-enyl)phenyl]-4,4-dimethyl-5-piperidin-1-yl pent-1-en-3-one
  • MW: 464.683 | Formula: C30H44N2O2
  • H donors: 0 H acceptors: 2 LogP: 5.64 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(CN1CCCCC1)(C)C)/C=C/c1ccc(cc1)/C=C/C(=O)C(CN1CCCCC1)(C)C
  • InChi: 1S/C30H44N2O2/c1-29(2,23-31-19-7-5-8-20-31)27(33)17-15-25-11-13-26(14-12-25)16-18-28(34)30(3,4)24-32-21-9-6-10-22-32/h11-18H,5-10,19-24H2,1-4H3/b17-15+,18-16+
  • InChiKey: AUJIAMGTUOHRAZ-YTEMWHBBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-1-[4-[(E)-4,4-dimethyl-3-oxo-5-piperidin-1-ylpent-1-enyl]phenyl]-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-one
  • 1-[4-[4,4-dimethyl-3-oxo-5-(1-piperidyl)pent-1-enyl]phenyl]-4,4-dimethyl-5-(1-piperidyl)pent-1-en-3-one
  • (E)-1-[4-[(E)-4,4-dimethyl-3-oxo-5-(1-piperidyl)pent-1-enyl]phenyl]-4,4-dimethyl-5-(1-piperidyl)pent-1-en-3-one
  • (E)-1-[4-[(E)-3-keto-4,4-dimethyl-5-piperidino-pent-1-enyl]phenyl]-4,4-dimethyl-5-piperidino-pent-1-en-3-one
  • 1-[4-(3-keto-4,4-dimethyl-5-piperidino-pent-1-enyl)phenyl]-4,4-dimethyl-5-piperidino-pent-1-en-3-one
  • (E)-1-[4-[(E)-4,4-dimethyl-3-oxo-5-piperidin-1-yl-pent-1-enyl]phenyl]-4,4-dimethyl-5-piperidin-1-yl-pent-1-en-3-one
  • 1-[4-(4,4-dimethyl-3-oxo-5-piperidin-1-yl-pent-1-enyl)phenyl]-4,4-dimethyl-5-piperidin-1-yl-pent-1-en-3-one
  • Neuro_000245
  • NCI60_005628

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus heat shock protein 90 0.0069 0.0652 0.0335
Schistosoma mansoni histone deacetylase hda2 0.0363 0.7475 0.7299
Schistosoma mansoni histone deacetylase 1 2 3 0.0363 0.7475 0.7299
Loa Loa (eye worm) hypothetical protein 0.009 0.1133 0.0541
Trichomonas vaginalis histone deacetylase, putative 0.0417 0.8713 1
Plasmodium falciparum histone deacetylase 1 0.0417 0.8713 0.9123
Loa Loa (eye worm) histone deacetylase 0.0453 0.9546 1
Trypanosoma brucei histone deacetylase, putative 0.0453 0.9546 1
Echinococcus multilocularis heat shock protein 0.0069 0.0652 0.0335
Leishmania major heat shock protein 83-1 0.0069 0.0652 0.0351
Leishmania major histone deacetylase, putative 0.0453 0.9546 1
Trypanosoma cruzi heat shock protein 90, putative 0.0069 0.0652 0.0683
Schistosoma mansoni histone deacetylase 0.0417 0.8713 0.8623
Trypanosoma cruzi histone deacetylase 1, putative 0.0417 0.8713 0.9127
Leishmania major heat shock protein 83-1 0.0069 0.0652 0.0351
Brugia malayi Histone deacetylase family protein 0.0453 0.9546 1
Leishmania major heat shock protein 83-1 0.0069 0.0652 0.0351
Leishmania major heat shock protein 83-1 0.0069 0.0652 0.0351
Trypanosoma cruzi histone deacetylase 1, putative 0.0417 0.8713 0.9127
Loa Loa (eye worm) histone deacetylase 7A 0.0453 0.9546 1
Trypanosoma cruzi histone deacetylase, putative 0.0363 0.7475 0.783
Trichomonas vaginalis heat shock protein, putative 0.0055 0.0328 0.0335
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0055 0.0328 0.5
Echinococcus granulosus histone deacetylase 6 0.0453 0.9546 0.9531
Brugia malayi Histone deacetylase 1 0.0417 0.8713 0.9063
Loa Loa (eye worm) histone deacetylase 3 0.0417 0.8713 0.9063
Plasmodium vivax histone deacetylase 2, putative 0.0453 0.9546 1
Echinococcus multilocularis histone deacetylase 3 0.0417 0.8713 0.8669
Giardia lamblia Histone deacetylase 0.0417 0.8713 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0069 0.0652 0.0683
Leishmania major heat shock protein 83-1 0.0069 0.0652 0.0351
Leishmania major heat shock protein 83-1 0.0069 0.0652 0.0351
Trichomonas vaginalis heat shock protein, putative 0.0055 0.0328 0.0335
Echinococcus multilocularis heat shock protein 90 0.0069 0.0652 0.0335
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0055 0.0328 0.5
Trypanosoma cruzi heat shock protein 90, putative 0.0055 0.0328 0.0343
Trypanosoma cruzi heat shock protein 85, putative 0.0069 0.0652 0.0683
Brugia malayi histone deacetylase 3 (HD3) 0.0417 0.8713 0.9063
Leishmania major histone deacetylase, putative 0.0417 0.8713 0.9096
Echinococcus granulosus histone deacetylase 0.0453 0.9546 0.9531
Plasmodium vivax histone deacetylase, putative 0.0363 0.7475 0.7671
Brugia malayi Histone deacetylase family protein 0.0453 0.9546 1
Echinococcus multilocularis histone deacetylase 6 0.0473 1 1
Toxoplasma gondii histone deacetylase HDAC2 0.0417 0.8713 0.9063
Trichomonas vaginalis histone deacetylase, putative 0.0417 0.8713 1
Trypanosoma cruzi histone deacetylase, putative 0.0453 0.9546 1
Plasmodium vivax histone deacetylase 1, putative 0.0417 0.8713 0.9063
Echinococcus multilocularis histone deacetylase 8 0.0363 0.7475 0.7389
Trypanosoma cruzi heat shock protein 85, putative 0.0069 0.0652 0.0683
Trichomonas vaginalis histone deacetylase, putative 0.0417 0.8713 1
Schistosoma mansoni histone deacetylase 0.0417 0.8713 0.8623
Mycobacterium ulcerans heat shock protein 90 0.0055 0.0328 0.5
Echinococcus granulosus histone deacetylase 1 0.0417 0.8713 0.8669
Trypanosoma brucei histone deacetylase 3 0.0453 0.9546 1
Schistosoma mansoni histone deacetylase 4 5 0.0453 0.9546 0.9515
Treponema pallidum heat shock protein 90 0.0055 0.0328 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0363 0.7475 0.783
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0417 0.8713 1
Leishmania major heat shock protein 83-1 0.0069 0.0652 0.0351
Trichomonas vaginalis histone deacetylase, putative 0.0417 0.8713 1
Plasmodium falciparum histone deacetylase, putative 0.0453 0.9546 1
Trypanosoma brucei histone deacetylase 2 0.0363 0.7475 0.7671
Leishmania major heat shock protein 83-1 0.0069 0.0652 0.0351
Leishmania major heat shock protein 83-1 0.0069 0.0652 0.0351
Loa Loa (eye worm) histone deacetylase 11 0.0363 0.7475 0.7671
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0417 0.8713 1
Trypanosoma cruzi heat shock protein 85, putative 0.0055 0.0328 0.0343
Leishmania major heat shock protein 83-1 0.0069 0.0652 0.0351
Schistosoma mansoni histone deacetylase hda2 0.0473 1 1
Leishmania major histone deacetylase, putative 0.0453 0.9546 1
Trypanosoma cruzi heat shock protein 85, putative 0.0069 0.0652 0.0683
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0417 0.8713 1
Loa Loa (eye worm) hypothetical protein 0.0363 0.7475 0.7671
Giardia lamblia Heat shock protein HSP 90-alpha 0.0069 0.0652 0.0386
Loa Loa (eye worm) hypothetical protein 0.0109 0.1587 0.1051
Leishmania major heat shock protein 83-1 0.0069 0.0652 0.0351
Brugia malayi histone deacetylase 1 (HD1) 0.0417 0.8713 0.9063
Trichomonas vaginalis histone deacetylase, putative 0.0417 0.8713 1
Schistosoma mansoni histone deacetylase 4 5 0.0453 0.9546 0.9515
Toxoplasma gondii histone deacetylase HDAC3 0.0417 0.8713 0.9063
Brugia malayi histone deacetylase 11 0.0363 0.7475 0.7671
Toxoplasma gondii histone deacetylase HDAC1 0.0453 0.9546 1
Plasmodium falciparum heat shock protein 90 0.0069 0.0652 0.0647
Onchocerca volvulus Histone deacetylase 10 homolog 0.0363 0.7475 0.5
Leishmania major heat shock protein 83-1 0.0069 0.0652 0.0351
Trypanosoma cruzi histone deacetylase, putative 0.0453 0.9546 1
Trichomonas vaginalis histone deacetylase, putative 0.0417 0.8713 1
Leishmania major heat shock protein 83-1 0.0069 0.0652 0.0351
Loa Loa (eye worm) histone deacetylase 1 0.0417 0.8713 0.9063
Plasmodium falciparum histone deacetylase 2 0.0453 0.9546 1
Leishmania major heat shock protein 83-1 0.0069 0.0652 0.0351
Echinococcus multilocularis histone deacetylase 0.0453 0.9546 0.9531
Trypanosoma brucei histone deacetylase 4 0.0453 0.9546 1
Toxoplasma gondii histone deacetylase HDAC4 0.0363 0.7475 0.7671
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0055 0.0328 0.5
Leishmania major heat shock protein 83-1 0.0069 0.0652 0.0351
Leishmania major heat shock protein 83-1 0.0069 0.0652 0.0351
Echinococcus granulosus histone deacetylase 3 0.0417 0.8713 0.8669
Echinococcus granulosus heat shock protein 0.0069 0.0652 0.0335
Echinococcus granulosus histone deacetylase 6 0.0453 0.9546 0.9531
Leishmania major histone deacetylase, putative 0.0417 0.8713 0.9096
Entamoeba histolytica histone deacetylase, putative 0.0417 0.8713 1
Echinococcus granulosus histone deacetylase 7 0.0453 0.9546 0.9531
Leishmania major heat shock protein 83-1 0.0069 0.0652 0.0351
Echinococcus multilocularis histone deacetylase 1 0.0417 0.8713 0.8669
Toxoplasma gondii histone deacetylase HDAC5 0.0363 0.7475 0.7671
Trichomonas vaginalis heat shock protein, putative 0.0069 0.0652 0.0709
Loa Loa (eye worm) hypothetical protein 0.0417 0.8713 0.9063
Trichomonas vaginalis heat shock protein, putative 0.0055 0.0328 0.0335
Echinococcus multilocularis histone deacetylase 6 0.0453 0.9546 0.9531
Echinococcus multilocularis histone deacetylase 7 0.0453 0.9546 0.9531
Echinococcus multilocularis histone deacetylase 6 0.0453 0.9546 0.9531
Trypanosoma cruzi histone deacetylase, putative 0.0453 0.9546 1
Plasmodium vivax histone deacetylase, putative 0.0453 0.9546 1
Echinococcus granulosus histone deacetylase 8 0.0363 0.7475 0.7389
Trypanosoma brucei histone deacetylase 1 0.0417 0.8713 0.9063

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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